Structure of PDB 7xkd Chain R Binding Site BS01

Receptor Information
>7xkd Chain R (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMMALTFITYIGCGLSSIFLSVTLVTYIAFEKIRRDYPSKILIQLCAALL
LLNLIFLLDSWIALYNTRGFCIAVAVFLHYFLLVSFTWMGLEAFHMYLAL
VKVFNTYIRKYILKFCIVGWGIPAVVVSIVLTISPDNYGIGNGTPDDFCW
INSNVVFYITVVGYFCVIFLLNVSMFIVVLVQLCRIKKKKQLGAQRKTSI
QDLRSIAGLTFLLGITWGFAFFAWGVNVTFMYLFAIFNTLQGFFIFIFYC
AAKENVRKQWR
Ligand information
Ligand IDAND
InChIInChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyFMGSKLZLMKYGDP-USOAJAOKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
ACDLabs 10.04O=C3CCC4C1C(C2(C(=CC1)CC(O)CC2)C)CCC34C
CACTVS 3.341C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O
OpenEye OEToolkits 1.5.0C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
OpenEye OEToolkits 1.5.0CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
FormulaC19 H28 O2
Name3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
ChEMBLCHEMBL90593
DrugBankDB01708
ZINCZINC000003807917
PDB chain7xkd Chain R Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xkd Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T765 M853 F856
Binding residue
(residue number reindexed from 1)		T144 M231 F234
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xkd, PDBe:7xkd, PDBj:7xkd
PDBsum7xkd
PubMed35982227
UniProtQ8CJ12|AGRG2_MOUSE Adhesion G-protein coupled receptor G2 (Gene Name=Adgrg2)

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